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Ligand · CM7

CM7 · N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide

CM7, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide (C32 H35 F3 N4 O4 S, 628.7 g/mol), in the MolNFT structures on…

Component
CM7
Formula
C32 H35 F3 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

CM7 in 2 structures; the first of them:

  • 2VNN · Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluo… · CM7 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more
  • 2VNN · Human bace-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1… · CM7 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more

Residues it binds most

GLY 2, ILE 2, THR 2, ARG 2, ASP 2, GLN 2, SER 2, TYR 2, ASN 2, LEU 2 (residue and the binding sites it lines).

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